BMRB Entry 30874
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30874
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Title: Structure and Interactions of DED1 of human cFLIP PubMed: 34800372
Deposition date: 2021-03-03 Original release date: 2021-11-28
Authors: Panaitiu, A.; Basiashvili, T.; Mierke, D.; Pellegrini, M.
Citation: Panaitiu, A.; Basiashvili, T.; Mierke, D.; Pellegrini, M.. "An engineered construct of cFLIP provides insight into DED1 structure and interactions" Structure 30, 229-239 (2021).
Assembly members:
entity_1, polymer, 105 residues, 12425.535 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pET30b
Entity Sequences (FASTA):
entity_1: MHHHHHHMSAEVIHQVEEAL
SSSELTELKYLCLGRVGKRK
LERVQSGVRDLLDILRERGK
LSVGDLAELLYRVRRFDLLK
RILKMDRKAVETHLLRNPHL
VSDYR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 662 |
| 15N chemical shifts | 189 |
| 1H chemical shifts | 1388 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 105 residues - 12425.535 Da.
| 1 | MET | HIS | HIS | HIS | HIS | HIS | HIS | MET | SER | ALA | ||||
| 2 | GLU | VAL | ILE | HIS | GLN | VAL | GLU | GLU | ALA | LEU | ||||
| 3 | SER | SER | SER | GLU | LEU | THR | GLU | LEU | LYS | TYR | ||||
| 4 | LEU | CYS | LEU | GLY | ARG | VAL | GLY | LYS | ARG | LYS | ||||
| 5 | LEU | GLU | ARG | VAL | GLN | SER | GLY | VAL | ARG | ASP | ||||
| 6 | LEU | LEU | ASP | ILE | LEU | ARG | GLU | ARG | GLY | LYS | ||||
| 7 | LEU | SER | VAL | GLY | ASP | LEU | ALA | GLU | LEU | LEU | ||||
| 8 | TYR | ARG | VAL | ARG | ARG | PHE | ASP | LEU | LEU | LYS | ||||
| 9 | ARG | ILE | LEU | LYS | MET | ASP | ARG | LYS | ALA | VAL | ||||
| 10 | GLU | THR | HIS | LEU | LEU | ARG | ASN | PRO | HIS | LEU | ||||
| 11 | VAL | SER | ASP | TYR | ARG |
Samples:
sample_1: entity_1, [U-13C; U-15N], 300 uM; sodium succinate 20 mM; sodium chloride 250 mM; DTT 3 mM; pefabloc 0.2 mM
sample_conditions_1: ionic strength: 0.27 M; pH: 5.8; pressure: 1 atm; temperature: 291 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment
CS-ROSETTA, Shen, Vernon, Baker and Bax - structure calculation
TopSpin v3.2, Bruker Biospin - collection
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - peak picking
NMR spectrometers:
- Bruker AVANCE 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts